SCHEMBL382037

SCHEMBL382037

O=C(O)CC(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)NS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGAV P06756 8/20 0.55
ITGA2B P08514 8/20 0.55
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
USP30 Q70CQ3 1/20 0.36
SLC6A9 P48067 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPY2R P49146 1/20 0.35
MTTP P55157 1/20 0.35
PKM P14618 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL383239 0.95 ITGB3 (0.55) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL382777 0.95 ITGB3 (0.55) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL382307 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL382429 0.89 ITGB3 (0.45) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6505536 0.89 ITGB3 (0.48) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL382514 0.89 ITGB3 (0.52) ITGB3ITGAVITGA2BKMT2AUSP30
SCHEMBL382791 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL382782 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL381839 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BNPY2R
SCHEMBL382269 0.85 ITGB3 (0.75) ITGB3ITGAVITGA2BUSP30SLC6A9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed